diethylamino 2-(2-hydroxybenzoyl)benzoate

C18H19NO4 — CID 87068636

IUPACdiethylamino 2-(2-hydroxybenzoyl)benzoate
SMILESCCN(CC)OC(=O)c1ccccc1C(=O)c1ccccc1O
InChIInChI=1S/C18H19NO4/c1-3-19(4-2)23-18(22)14-10-6-5-9-13(14)17(21)15-11-7-8-12-16(15)20/h5-12,20H,3-4H2,1-2H3
InChIKeyZNROSPXNNSLGAB-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.04
Rot. Bonds6

About diethylamino 2-(2-hydroxybenzoyl)benzoate

diethylamino 2-(2-hydroxybenzoyl)benzoate (PubChem CID 87068636) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is diethylamino 2-(2-hydroxybenzoyl)benzoate.

Molecular Properties

Compound Namediethylamino 2-(2-hydroxybenzoyl)benzoate
PubChem CID87068636
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namediethylamino 2-(2-hydroxybenzoyl)benzoate
SMILESCCN(CC)OC(=O)c1ccccc1C(=O)c1ccccc1O
InChIInChI=1S/C18H19NO4/c1-3-19(4-2)23-18(22)14-10-6-5-9-13(14)17(21)15-11-7-8-12-16(15)20/h5-12,20H,3-4H2,1-2H3
InChIKeyZNROSPXNNSLGAB-UHFFFAOYSA-N
XLogP3.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

diethylamino 2-nitrosobenzoate
CID 134930377
diethylamino 2-hydroxynaphthalene-1-carboxylate
CID 22369256
4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 90885318
ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 164952151
benzoic acid;methyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 175238314
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 153448457
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
[(E)-4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl] 2-[4-(diethylamino)-2-methylbenzoyl]benzoate
CID 142905842
(3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 142944915
N-ethyl-N-fluoroethanamine;2-hydroxybenzoic acid
CID 88696250
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
CID 67362271

Frequently Asked Questions

What is the IUPAC name of diethylamino 2-(2-hydroxybenzoyl)benzoate?
The IUPAC name of diethylamino 2-(2-hydroxybenzoyl)benzoate (CID 87068636) is diethylamino 2-(2-hydroxybenzoyl)benzoate.
What is the SMILES notation for diethylamino 2-(2-hydroxybenzoyl)benzoate?
The canonical SMILES for diethylamino 2-(2-hydroxybenzoyl)benzoate is CCN(CC)OC(=O)c1ccccc1C(=O)c1ccccc1O.
What is the InChIKey of diethylamino 2-(2-hydroxybenzoyl)benzoate?
The InChIKey is ZNROSPXNNSLGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-19(4-2)23-18(22)14-10-6-5-9-13(14)17(21)15-11-7-8-12-16(15)20/h5-12,20H,3-4H2,1-2H3.
What are the key properties of diethylamino 2-(2-hydroxybenzoyl)benzoate?
diethylamino 2-(2-hydroxybenzoyl)benzoate has a molecular weight of 313.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethylamino 2-(2-hydroxybenzoyl)benzoate is sourced from PubChem (CID 87068636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).